N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-bromophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-bromophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-[(3-bromophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide Formula: C21H17BrN4O4S MolecularWeight: 501.35308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)Br)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)Br)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17BrN4O4S/c22-14-4-1-3-13(9-14)20(28)26-8-2-5-15(26)18(27)23-21-25-24-19(31-21)12-6-7-16-17(10-12)30-11-29-16/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,23,25,27)